[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-7(2)10(11(17)15-13(14)19)22-12(18)8-5-3-4-6-9(8)16(20)21/h3-7,10H,1-2H3,(H3,14,15,17,19)/t10-/m0/s1